8B45
Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97 |
Spacegroup name | I 21 3 |
Unit cell lengths | 85.515, 85.515, 85.515 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.470 - 1.600 |
R-factor | 0.1889 |
Rwork | 0.186 |
R-free | 0.21400 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.013 |
RMSD bond angle | 1.629 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | Arcimboldo |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.470 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 13883 | 670 |
<I/σ(I)> | 30.2 | |
Completeness [%] | 100.0 | |
Redundancy | 33.9 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.8 M Potasium sodium tartrate tetrahydrate 0.1 M Sodium HEPES 7.5 |